COC(=O)C1=CC2=C(C=C1)NC=C2CCCCCl
CAS: 115092-81-4
Name: methyl 3-(4-chlorobutyl)-1H-indole-5-carboxylate
SMILES: COC(=O)C1=CC2=C(C=C1)NC=C2CCCCCl

Molecular Processing

Molecular formula
C14H16ClNO2
Molecular weight
265.74
Exact mass
265.087
XLogP
3.52
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
73.3

Supplementary Information

InChIKey: DWCOQZFEBZCIDZ-UHFFFAOYSA-N
Synonyme
methyl 3-(4-chlorobutyl)-1H-indole-5-carboxylate115092-81-41H-Indole-5-carboxylic acid, 3-(4-chlorobutyl)-, methyl esterSCHEMBL8557448DWCOQZFEBZCIDZ-UHFFFAOYSA-N3-(4-chlorobutyl)-5-methoxycarbonylindoleCS-0145962E81841F622220
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